Inosine
Representations & DB's id
| ||
| ChEBI: | CHEBI:17596 | |
|---|---|---|
| ChEMBL: | CHEMBL1556 | |
| PubChem: | 6021 | |
| IUPAC: | 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | |
| Standard InChI: | InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 | |
| Standard InChI Key: | UGQMRVRMYYASKQ-KQYNXXCUSA-N | |
| SMILES: | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O | |
Molecular propeties
| ||
| AlogP: | -2.27 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 268.08 | |
| Topological polar surface area: | 129 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 10 | |